chempirical

Albuterol methyl ether

C14H23NO3CAS 870076-72-5253.34 g/mol

Open in Covalent MOL file
HNOHOHO
AlcoholEtherPhenolSecondary amine

Properties

Molecular formula
C14H23NO3
Molar mass
253.34 g/mol
Exact mass
253.1678 Da
logP
1.96Crippen estimate
Polar surface area
61.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
870076-72-5
SMILES
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)OC
InChIKey
UMHASVFLCHGDPW-UHFFFAOYSA-N
InChI
InChI=1S/C14H23NO3/c1-14(2,3)15-8-13(18-4)10-5-6-12(17)11(7-10)9-16/h5-7,13,15-17H,8-9H2,1-4H3

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Names and synonyms

1 names
  • 4-(2-(tert-Butylamino)-1-methoxyethyl)-2-(hydroxymethyl)phenol

Work with Albuterol methyl ether

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Salbutamol18559-94-967 % similar (-)-Salbutamol34391-04-367 % similar Levalbuterol hydrochloride50293-90-863 % similar Salbutamol sulfate51022-70-957 % similar Salbutamol dimer149222-15-155 % similar Levalbuterol tartrate661464-94-454 % similar Alpha1-(((1,1-Dimethylethyl)amino)methyl)-4-(phenylmethoxy)-1,3-benzenedimethanol56796-66-843 % similar α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol24085-03-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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